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{
"id": "jvasp-119227",
"created_at": "2022-09-04T14:38:26.668427Z",
"updated_at": "2022-09-04T14:38:26.668456Z",
"structure_string": "Mg6 In4 N8\n1.0\n6.468749 -0.004316 -0.202800\n-6.005993 6.456493 -0.000001\n0.006284 0.005845 5.601520\nMg In N\n6 4 8\ndirect\n0.238823 0.018371 0.102311 Mg\n0.761177 0.779548 0.397689 Mg\n0.761177 0.981629 0.897689 Mg\n0.238823 0.220452 0.602311 Mg\n0.000000 0.710792 0.750000 Mg\n0.000000 0.289208 0.250000 Mg\n0.658682 0.450136 0.146282 In\n0.341318 0.791455 0.353718 In\n0.658682 0.208545 0.646282 In\n0.341318 0.549864 0.853718 In\n0.320296 0.773834 0.965650 N\n0.198021 0.950569 0.487375 N\n0.801978 0.752547 0.012625 N\n0.801978 0.049430 0.512625 N\n0.198021 0.247452 0.987375 N\n0.679704 0.226165 0.034350 N\n0.320296 0.546460 0.465650 N\n0.679704 0.453539 0.534350 N\n",
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{
"id": "jvasp-119228",
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"updated_at": "2022-09-04T14:38:49.923540Z",
"structure_string": "Zn6 Ga4 N8\n1.0\n6.394453 -0.004368 -0.451940\n-6.879124 6.380427 0.000001\n-0.005315 -0.005731 5.355307\nZn Ga N\n6 4 8\ndirect\n0.228471 0.962447 0.099538 Zn\n0.771530 0.733976 0.400462 Zn\n0.771529 0.037553 0.900463 Zn\n0.228470 0.266024 0.599538 Zn\n0.000000 0.657164 0.750000 Zn\n0.000000 0.342836 0.250000 Zn\n0.573775 0.398959 0.134283 Ga\n0.426225 0.825184 0.365718 Ga\n0.573775 0.174816 0.634283 Ga\n0.426225 0.601041 0.865718 Ga\n0.377247 0.769656 0.994792 N\n0.201092 0.888987 0.487281 N\n0.798909 0.687895 0.012719 N\n0.798908 0.111013 0.512720 N\n0.201091 0.312105 0.987281 N\n0.622753 0.230344 0.005208 N\n0.377247 0.607591 0.494792 N\n0.622752 0.392409 0.505208 N\n",
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{
"id": "jvasp-119229",
"created_at": "2022-09-04T14:38:44.126783Z",
"updated_at": "2022-09-04T14:38:44.126808Z",
"structure_string": "Ca6 Co6 N10\n1.0\n5.351411 0.003036 -1.394483\n-1.180982 6.241620 -2.170040\n-0.050933 0.010609 8.249708\nCa Co N\n6 6 10\ndirect\n0.813686 0.409470 0.610337 Ca\n0.186315 0.590531 0.389664 Ca\n0.658865 0.869401 0.872381 Ca\n0.341136 0.130600 0.127620 Ca\n0.659467 0.666362 0.199811 Ca\n0.340534 0.333639 0.800190 Ca\n0.896321 0.119304 0.288797 Co\n0.313674 0.054003 0.438766 Co\n0.103680 0.880697 0.711204 Co\n0.088035 0.679388 0.026299 Co\n0.911966 0.320613 0.973702 Co\n0.686327 0.945998 0.561235 Co\n0.231465 0.766505 0.882460 N\n0.935519 0.111885 0.777215 N\n0.064482 0.888116 0.222786 N\n0.822778 0.696564 0.511275 N\n0.177223 0.303437 0.488726 N\n0.747475 0.534592 0.903011 N\n0.252526 0.465409 0.096990 N\n0.373480 0.949359 0.625719 N\n0.626521 0.050642 0.374282 N\n0.768536 0.233496 0.117541 N\n",
"nsites": 22,
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"elements": [
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],
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{
"id": "jvasp-119230",
"created_at": "2022-09-04T14:38:49.132396Z",
"updated_at": "2022-09-04T14:38:49.132427Z",
"structure_string": "Y8 S6 N4\n1.0\n6.460599 -0.000000 0.000000\n0.000000 14.707139 0.000000\n-0.000000 -0.000000 3.814392\nY S N\n8 6 4\ndirect\n0.715302 0.936417 0.500000 Y\n0.284699 0.063583 0.500000 Y\n0.215302 0.563583 -0.000000 Y\n0.784699 0.436417 -0.000000 Y\n0.780613 0.655538 0.500000 Y\n0.219387 0.344462 0.500000 Y\n0.280613 0.844462 -0.000000 Y\n0.719387 0.155538 -0.000000 Y\n0.710070 0.797967 -0.000000 S\n0.289930 0.202033 -0.000000 S\n0.210070 0.702033 0.500000 S\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.789931 0.297967 0.500000 S\n0.125496 0.415970 -0.000000 N\n0.625496 0.084030 0.500000 N\n0.374504 0.915970 0.500000 N\n0.874504 0.584030 -0.000000 N\n",
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{
"id": "jvasp-119231",
"created_at": "2022-09-04T14:38:26.570996Z",
"updated_at": "2022-09-04T14:38:26.571017Z",
"structure_string": "Mg9 Mn2 N8\n1.0\n7.816005 -0.027339 2.464317\n1.199044 4.132771 0.000000\n0.028606 -0.008299 7.076869\nMg Mn N\n9 2 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.077792 0.961104 0.787376 Mg\n0.922208 0.038895 0.212625 Mg\n0.661571 0.669215 0.428294 Mg\n0.338430 0.330784 0.571707 Mg\n0.811452 0.594274 0.952917 Mg\n0.188548 0.405726 0.047083 Mg\n0.341500 0.829249 0.254446 Mg\n0.658501 0.170750 0.745554 Mg\n0.582582 0.208709 0.202827 Mn\n0.417418 0.791290 0.797173 Mn\n0.219576 0.890211 0.015959 N\n0.780425 0.109788 0.984041 N\n0.358065 0.820967 0.580531 N\n0.641935 0.179032 0.419470 N\n0.656062 0.671968 0.740231 N\n0.343939 0.328031 0.259769 N\n0.931551 0.534224 0.252694 N\n0.068450 0.465775 0.747307 N\n",
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"formula_full": "Mg9 Mn2 N8",
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"formula_anonymous": "A2B8C9",
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"spacegroup": 12
},
{
"id": "jvasp-119233",
"created_at": "2022-09-04T14:38:27.820782Z",
"updated_at": "2022-09-04T14:38:27.820808Z",
"structure_string": "Zn8 Fe3 N8\n1.0\n10.326353 -0.047850 3.816967\n0.586841 3.384025 -0.000000\n0.178175 -0.030898 7.826872\nZn Fe N\n8 3 8\ndirect\n0.110403 0.944800 0.699320 Zn\n0.889596 0.055201 0.300680 Zn\n0.638729 0.680636 0.511279 Zn\n0.361270 0.319364 0.488722 Zn\n0.836568 0.581715 0.888033 Zn\n0.163431 0.418286 0.111967 Zn\n0.600076 0.199961 0.852213 Zn\n0.399923 0.800039 0.147788 Zn\n0.632548 0.183726 0.198941 Fe\n0.367451 0.816275 0.801060 Fe\n-0.000000 0.500000 0.500000 Fe\n0.260472 0.869765 0.039802 N\n0.739528 0.130235 0.960199 N\n0.308386 0.845808 0.613489 N\n0.691614 0.154193 0.386511 N\n0.539967 0.730017 0.784957 N\n0.460032 0.269984 0.215044 N\n0.021902 0.489050 0.725154 N\n0.978097 0.510951 0.274846 N\n",
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"volume": 271.35633468757055,
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"formula_full": "Zn8 Fe3 N8",
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{
"id": "jvasp-119234",
"created_at": "2022-09-04T14:38:27.862440Z",
"updated_at": "2022-09-04T14:38:27.862457Z",
"structure_string": "Ca8 Cd4 N8\n1.0\n6.964192 -0.000000 -0.232897\n0.000000 7.480667 0.000000\n0.007284 0.000000 6.359194\nCa Cd N\n8 4 8\ndirect\n0.358608 0.359235 0.917008 Ca\n0.641391 0.859235 0.582991 Ca\n0.641391 0.640765 0.082991 Ca\n0.358608 0.140765 0.417008 Ca\n0.973909 0.139342 0.749078 Ca\n0.026090 0.639342 0.750920 Ca\n0.026090 0.860659 0.250921 Ca\n0.973909 0.360658 0.249079 Ca\n0.680075 0.088866 0.080830 Cd\n0.319925 0.588866 0.419170 Cd\n0.319924 0.911134 0.919169 Cd\n0.680074 0.411134 0.580829 Cd\n0.263333 0.866881 0.571623 N\n0.736666 0.366881 0.928376 N\n0.736666 0.133119 0.428376 N\n0.263333 0.633119 0.071623 N\n0.187322 0.362495 0.592912 N\n0.812677 0.862496 0.907086 N\n0.812677 0.637505 0.407087 N\n0.187322 0.137505 0.092913 N\n",
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"density_atomic": 0.06036708807428821,
"volume": 331.30635646012684,
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"formula_full": "Ca8 Cd4 N8",
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"spacegroup": 14
},
{
"id": "jvasp-119236",
"created_at": "2022-09-04T14:38:26.638087Z",
"updated_at": "2022-09-04T14:38:26.638109Z",
"structure_string": "Cu2 Ge4 N6\n1.0\n5.526222 0.000443 0.000000\n-2.766444 4.787329 0.000000\n0.000000 0.000000 5.220579\nCu Ge N\n2 4 6\ndirect\n0.000001 0.661642 0.502850 Cu\n0.000000 0.338358 0.002850 Cu\n0.328601 0.330813 0.492142 Ge\n0.671399 0.002211 0.492142 Ge\n0.671399 0.669186 0.992142 Ge\n0.328601 0.997788 0.992142 Ge\n0.369040 0.334778 0.855493 N\n0.630961 0.965738 0.855493 N\n0.630961 0.665222 0.355493 N\n0.369039 0.034261 0.355493 N\n0.000001 0.694704 0.889881 N\n0.000000 0.305296 0.389881 N\n",
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],
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"density_atomic": 0.08688020845319265,
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{
"id": "jvasp-119237",
"created_at": "2022-09-04T14:38:49.124795Z",
"updated_at": "2022-09-04T14:38:49.124818Z",
"structure_string": "Sc4 Mo4 N12\n1.0\n10.638726 -0.364520 -1.867364\n-3.936642 3.769415 -0.785844\n-0.072389 0.793536 6.427779\nSc Mo N\n4 4 12\ndirect\n0.635381 0.533566 0.388716 Sc\n0.364619 0.466433 0.611286 Sc\n0.805200 0.050303 0.889373 Sc\n0.194800 -0.050302 0.110629 Sc\n-0.022083 0.771584 0.662162 Mo\n0.022083 0.228415 0.337839 Mo\n0.575458 0.944231 0.194064 Mo\n0.424542 0.055768 0.805937 Mo\n0.241933 0.106686 0.811791 N\n0.758067 0.893314 0.188210 N\n0.435608 0.050951 0.129135 N\n0.564392 0.949049 0.870866 N\n0.083429 0.428718 0.119266 N\n0.094859 0.009004 0.360837 N\n0.238463 0.655455 0.584276 N\n0.761538 0.344544 0.415725 N\n0.558695 0.441208 0.693941 N\n0.905141 0.990995 0.639165 N\n0.916571 0.571281 0.880735 N\n0.441305 0.558792 0.306060 N\n",
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{
"id": "jvasp-119238",
"created_at": "2022-09-04T14:38:27.942492Z",
"updated_at": "2022-09-04T14:38:27.942505Z",
"structure_string": "Nb2 Cr6 Ag4 S16\n1.0\n11.201388 -0.000000 0.000000\n0.000000 3.464711 0.000000\n-0.000000 0.000000 12.845370\nNb Cr Ag S\n2 6 4 16\ndirect\n0.046595 0.250000 0.119380 Nb\n0.453405 0.750000 0.619380 Nb\n0.943967 0.750000 0.881199 Cr\n0.556034 0.250000 0.381199 Cr\n0.083195 0.250000 0.593354 Cr\n0.907159 0.750000 0.411760 Cr\n0.416806 0.750000 0.093354 Cr\n0.592841 0.250000 0.911761 Cr\n0.726606 0.250000 0.182154 Ag\n0.261125 0.750000 0.828291 Ag\n0.773395 0.750000 0.682154 Ag\n0.238875 0.250000 0.328291 Ag\n0.799638 0.250000 0.845294 S\n0.202479 0.750000 0.142992 S\n0.616294 0.750000 0.035826 S\n0.388146 0.250000 0.965226 S\n0.883706 0.250000 0.535826 S\n0.111854 0.750000 0.465226 S\n0.602262 0.250000 0.563021 S\n0.960067 0.250000 0.289948 S\n0.897738 0.750000 0.063021 S\n0.084418 0.250000 0.926767 S\n0.539933 0.750000 0.789948 S\n0.450821 0.250000 0.214786 S\n0.297521 0.250000 0.642992 S\n0.049179 0.750000 0.714786 S\n0.415582 0.750000 0.426767 S\n0.700362 0.750000 0.345294 S\n",
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],
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"formula_full": "Nb2 Cr6 Ag4 S16",
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},
{
"id": "jvasp-119239",
"created_at": "2022-09-04T14:38:49.137264Z",
"updated_at": "2022-09-04T14:38:49.137288Z",
"structure_string": "Sm3 Mg2 Ti1 S8\n1.0\n6.838787 -0.000031 3.948211\n2.279701 6.306787 3.948293\n-0.000008 0.000045 7.896613\nSm Mg Ti S\n3 2 1 8\ndirect\n0.500002 0.500010 0.499989 Sm\n0.499996 0.499994 -0.000000 Sm\n0.000001 0.499995 0.500007 Sm\n0.875540 0.873386 0.875538 Mg\n0.124460 0.126614 0.124462 Mg\n0.500003 0.999999 0.500003 Ti\n0.732001 0.771133 0.732007 S\n0.268005 0.228863 0.735142 S\n0.252386 0.742832 0.252385 S\n0.735143 0.228866 0.267996 S\n0.747608 0.257169 0.747605 S\n0.264857 0.771137 0.731999 S\n0.267996 0.228858 0.268005 S\n0.732006 0.771140 0.264857 S\n",
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"volume": 340.5869695850987,
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"formula_full": "Sm3 Mg2 Ti1 S8",
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{
"id": "jvasp-119241",
"created_at": "2022-09-04T14:38:28.010853Z",
"updated_at": "2022-09-04T14:38:28.010865Z",
"structure_string": "Ca6 Y4 N8\n1.0\n6.586104 0.003602 0.000459\n-5.462498 6.485950 -0.000000\n0.001846 0.001555 7.096416\nCa Y N\n6 4 8\ndirect\n0.265759 0.028403 0.951910 Ca\n0.734240 0.762644 0.548091 Ca\n0.734240 0.971596 0.048091 Ca\n0.265758 0.237355 0.451910 Ca\n-0.000000 0.649949 0.750000 Ca\n-0.000000 0.350050 0.250000 Ca\n0.715289 0.497125 0.111871 Y\n0.284710 0.781835 0.388130 Y\n0.715289 0.218164 0.611871 Y\n0.284710 0.502874 0.888130 Y\n0.235359 0.722226 0.066005 N\n0.256376 0.978700 0.595557 N\n0.743623 0.722323 0.904444 N\n0.743623 0.021299 0.404443 N\n0.256376 0.277676 0.095557 N\n0.764640 0.277773 0.933996 N\n0.235359 0.513134 0.566005 N\n0.764640 0.486865 0.433996 N\n",
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"elements": [
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"spacegroup": 15
}
]
}